N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine

C13H18N4OS — CID 66215907

IUPACN-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
SMILESCCCN(Cc1noc(-c2ccsc2)n1)C1CNC1
InChIInChI=1S/C13H18N4OS/c1-2-4-17(11-6-14-7-11)8-12-15-13(18-16-12)10-3-5-19-9-10/h3,5,9,11,14H,2,4,6-8H2,1H3
InChIKeyXQEDFQDYPSIVKL-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.98
Rot. Bonds6

About N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine

N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine (PubChem CID 66215907) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
PubChem CID66215907
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
SMILESCCCN(Cc1noc(-c2ccsc2)n1)C1CNC1
InChIInChI=1S/C13H18N4OS/c1-2-4-17(11-6-14-7-11)8-12-15-13(18-16-12)10-3-5-19-9-10/h3,5,9,11,14H,2,4,6-8H2,1H3
InChIKeyXQEDFQDYPSIVKL-UHFFFAOYSA-N
XLogP1.98
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine
CID 66215112
N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66213913
2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62016020
N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
CID 112815205
2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60775128
1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol
CID 111103333
N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66183896
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-propylpyrrolidin-3-amine
CID 63300902
2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol
CID 102636569
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine
CID 66183275
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine?
The IUPAC name of N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine (CID 66215907) is N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine.
What is the SMILES notation for N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine?
The canonical SMILES for N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine is CCCN(Cc1noc(-c2ccsc2)n1)C1CNC1.
What is the InChIKey of N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine?
The InChIKey is XQEDFQDYPSIVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-4-17(11-6-14-7-11)8-12-15-13(18-16-12)10-3-5-19-9-10/h3,5,9,11,14H,2,4,6-8H2,1H3.
What are the key properties of N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine?
N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine has a molecular weight of 278.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 66215907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).